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DOE OSTI2020

Materials Data on LiEu2Si3 by Materials Project

LiEu2Si3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li is bonded in a distorted trigonal planar geometry to six Eu and three Si atoms. There are a spread of Li–Eu bond distances ranging from 3.08–3.44 Å. There are one shorter (2.52 Å) and two longer (2.56 Å) Li–Si bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to three equivalent Li and nine Si atoms to form a mixture of distorted edge and face-sharing EuLi3Si9 cuboctahedra. There are a spread of Eu–Si bond distances ranging from 3.17–3.33 Å. In the second Eu site, Eu is bonded to three equivalent Li and nine Si atoms to form a mixture of distorted edge and face-sharing EuLi3Si9 cuboctahedra. There are a spread of Eu–Si bond distances ranging from 3.15–3.28 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a distorted bent 120 degrees geometry to two equivalent Li, six Eu, and one Si atom. The Si–Si bond length is 2.34 Å. In the second Si site, Si is bonded in a distorted single-bond geometry to one Li, six Eu, and one Si atom. The Si–Si bond length is 2.37 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to six Eu and three Si atoms. The Si–Si bond length is 2.40 Å.

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Materials Data on Eu2BrO2 by Materials Project

Eu2O2Br crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Eu+2.50+ sites. In the first Eu+2.50+ site, Eu+2.50+ is bonded in a 5-coordinate geometry to five O2- and two equivalent Br1- atoms. There are a spread of Eu–O bond distances ranging from 2.32–2.45 Å. Both Eu–Br bond lengths are 3.37 Å. In the second Eu+2.50+ site, Eu+2.50+ is bonded in a 3-coordinate geometry to three O2- and three equivalent Br1- atoms. There are one shorter (2.26 Å) and two longer (2.32 Å) Eu–O bond lengths. There are two shorter (3.31 Å) and one longer (3.41 Å) Eu–Br bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu+2.50+ atoms to form a mixture of distorted edge and corner-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded to four Eu+2.50+ atoms to form a mixture of edge and corner-sharing OEu4 trigonal pyramids. Br1- is bonded in a 5-coordinate geometry to five Eu+2.50+ atoms.

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Materials Data on LiEu2Ge3 by Materials Project

LiEu2Ge3 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to one Eu and five Ge atoms. The Li–Eu bond length is 3.38 Å. There are a spread of Li–Ge bond distances ranging from 2.72–2.88 Å. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 5-coordinate geometry to seven Ge atoms. There are a spread of Eu–Ge bond distances ranging from 3.01–3.24 Å. In the second Eu site, Eu is bonded in a 5-coordinate geometry to one Li and nine Ge atoms. There are a spread of Eu–Ge bond distances ranging from 3.21–3.43 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Li, five Eu, and two Ge atoms. There are one shorter (2.52 Å) and one longer (2.60 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Eu, and two Ge atoms. The Ge–Ge bond length is 2.64 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, five Eu, and two Ge atoms. The Ge–Ge bond length is 2.48 Å.

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Materials Data on Eu3Re by Materials Project

Eu3Re is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Eu and four equivalent Re atoms to form a mixture of distorted corner, edge, and face-sharing EuEu4Re4 tetrahedra. All Eu–Eu bond lengths are 3.25 Å. All Eu–Re bond lengths are 3.25 Å. In the second Eu site, Eu is bonded in a 8-coordinate geometry to eight equivalent Eu and six equivalent Re atoms. All Eu–Re bond lengths are 3.75 Å. Re is bonded in a distorted body-centered cubic geometry to fourteen Eu atoms.

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Materials Data on Eu2ZnGe3 by Materials Project

Eu2ZnGe3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to two equivalent Zn and ten Ge atoms. There are one shorter (3.19 Å) and one longer (3.57 Å) Eu–Zn bond lengths. There are a spread of Eu–Ge bond distances ranging from 3.12–3.53 Å. In the second Eu site, Eu is bonded in a 12-coordinate geometry to two equivalent Zn and eight Ge atoms. Both Eu–Zn bond lengths are 3.15 Å. There are a spread of Eu–Ge bond distances ranging from 3.13–3.52 Å. Zn is bonded in a 3-coordinate geometry to four Eu and three Ge atoms. There are two shorter (2.46 Å) and one longer (2.48 Å) Zn–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six Eu, one Zn, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six Eu, one Zn, and two Ge atoms. The Ge–Ge bond length is 2.52 Å.

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DOE OSTI2020

Materials Data on Eu2ZnGe3 by Materials Project

Eu2ZnGe3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to two equivalent Zn and ten Ge atoms. There are one shorter (3.22 Å) and one longer (3.52 Å) Eu–Zn bond lengths. There are a spread of Eu–Ge bond distances ranging from 3.12–3.57 Å. In the second Eu site, Eu is bonded in a 12-coordinate geometry to four equivalent Zn and eight Ge atoms. There are two shorter (3.18 Å) and two longer (3.49 Å) Eu–Zn bond lengths. There are a spread of Eu–Ge bond distances ranging from 3.13–3.53 Å. Zn is bonded in a 3-coordinate geometry to six Eu and three Ge atoms. There are two shorter (2.47 Å) and one longer (2.48 Å) Zn–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six Eu, one Zn, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six Eu, one Zn, and two Ge atoms. The Ge–Ge bond length is 2.54 Å.

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Materials Data on Eu2Ge3Au by Materials Project

Eu2AuGe3 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to two equivalent Au and ten Ge atoms to form a mixture of edge and face-sharing EuGe10Au2 cuboctahedra. Both Eu–Au bond lengths are 3.38 Å. There are a spread of Eu–Ge bond distances ranging from 3.31–3.38 Å. In the second Eu site, Eu is bonded to four equivalent Au and eight Ge atoms to form a mixture of edge and face-sharing EuGe8Au4 cuboctahedra. All Eu–Au bond lengths are 3.35 Å. All Eu–Ge bond lengths are 3.36 Å. Au is bonded in a distorted trigonal planar geometry to six Eu and three Ge atoms. All Au–Ge bond lengths are 2.54 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted single-bond geometry to six Eu, one Au, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.50 Å. In the second Ge site, Ge is bonded in a distorted single-bond geometry to six Eu, one Au, and two Ge atoms. The Ge–Ge bond length is 2.49 Å.

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Materials Data on Eu3Hf by Materials Project

Eu3Hf crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to eight Eu and four equivalent Hf atoms to form EuEu8Hf4 cuboctahedra that share corners with twelve equivalent EuEu8Hf4 cuboctahedra, edges with eight equivalent HfEu12 cuboctahedra, edges with sixteen EuEu8Hf4 cuboctahedra, faces with four equivalent HfEu12 cuboctahedra, and faces with fourteen EuEu8Hf4 cuboctahedra. There are four shorter (3.64 Å) and four longer (3.65 Å) Eu–Eu bond lengths. All Eu–Hf bond lengths are 3.64 Å. In the second Eu site, Eu is bonded to eight equivalent Eu and four equivalent Hf atoms to form EuEu8Hf4 cuboctahedra that share corners with four equivalent EuEu8Hf4 cuboctahedra, corners with eight equivalent HfEu12 cuboctahedra, edges with twenty-four EuEu8Hf4 cuboctahedra, faces with six equivalent HfEu12 cuboctahedra, and faces with twelve EuEu8Hf4 cuboctahedra. All Eu–Hf bond lengths are 3.65 Å. Hf is bonded to twelve Eu atoms to form HfEu12 cuboctahedra that share corners with four equivalent HfEu12 cuboctahedra, corners with eight equivalent EuEu8Hf4 cuboctahedra, edges with eight equivalent HfEu12 cuboctahedra, edges with sixteen equivalent EuEu8Hf4 cuboctahedra, faces with four equivalent HfEu12 cuboctahedra, and faces with fourteen EuEu8Hf4 cuboctahedra.

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Materials Data on Eu4BPd12 by Materials Project

Eu4Pd12B crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to twelve Pd atoms to form EuPd12 cuboctahedra that share corners with twelve EuPd12 cuboctahedra, edges with four equivalent PdEu4Pd8 cuboctahedra, faces with six EuPd12 cuboctahedra, and faces with four equivalent BPd6 octahedra. There are a spread of Eu–Pd bond distances ranging from 2.91–3.06 Å. In the second Eu site, Eu is bonded to twelve Pd atoms to form EuPd12 cuboctahedra that share corners with twelve EuPd12 cuboctahedra, edges with four equivalent PdEu4Pd8 cuboctahedra, faces with four equivalent PdEu4Pd8 cuboctahedra, and faces with six EuPd12 cuboctahedra. There are a spread of Eu–Pd bond distances ranging from 2.98–3.03 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Eu and two equivalent B atoms to form a mixture of distorted face, edge, and corner-sharing PdEu4B2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Pd–B bond lengths are 2.14 Å. In the second Pd site, Pd is bonded in a distorted rectangular see-saw-like geometry to four Eu and two equivalent Pd atoms. Both Pd–Pd bond lengths are 3.00 Å. In the third Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Eu and four equivalent Pd atoms. All Pd–Pd bond lengths are 2.99 Å. In the fourth Pd site, Pd is bonded in a 1-coordinate geometry to four equivalent Eu and one B atom. The Pd–B bond length is 2.12 Å. In the fifth Pd site, Pd is bonded to four equivalent Eu and eight Pd atoms to form distorted PdEu4Pd8 cuboctahedra that share corners with eight equivalent PdEu4Pd8 cuboctahedra, edges with eight EuPd12 cuboctahedra, faces with four equivalent EuPd12 cuboctahedra, and faces with five equivalent PdEu4Pd8 cuboctahedra. B is bonded to six Pd atoms to form BPd6 octahedra that share corners with four equivalent BPd6 octahedra and faces with eight equivalent EuPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Eu3(SnPd)2 by Materials Project

Eu3Pd2Sn2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 7-coordinate geometry to four equivalent Pd and five Sn atoms. There are a spread of Eu–Pd bond distances ranging from 3.06–3.48 Å. There are a spread of Eu–Sn bond distances ranging from 3.34–3.67 Å. In the second Eu site, Eu is bonded in a 9-coordinate geometry to four equivalent Pd and five Sn atoms. There are two shorter (3.37 Å) and two longer (3.38 Å) Eu–Pd bond lengths. There are a spread of Eu–Sn bond distances ranging from 3.26–3.52 Å. Pd is bonded in a 10-coordinate geometry to six Eu, one Pd, and three Sn atoms. The Pd–Pd bond length is 2.94 Å. There are a spread of Pd–Sn bond distances ranging from 2.73–2.79 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to eight Eu and four equivalent Pd atoms to form a mixture of distorted face, edge, and corner-sharing SnEu8Pd4 cuboctahedra. In the second Sn site, Sn is bonded in a 9-coordinate geometry to seven Eu and two equivalent Pd atoms.

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Materials Data on Eu2Zn3Ge by Materials Project

Eu2Zn3Ge crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to ten Zn and two equivalent Ge atoms to form a mixture of face and edge-sharing EuZn10Ge2 cuboctahedra. There are a spread of Eu–Zn bond distances ranging from 3.21–3.27 Å. Both Eu–Ge bond lengths are 3.25 Å. In the second Eu site, Eu is bonded to eight Zn and four equivalent Ge atoms to form a mixture of face and edge-sharing EuZn8Ge4 cuboctahedra. There are four shorter (3.24 Å) and four longer (3.25 Å) Eu–Zn bond lengths. All Eu–Ge bond lengths are 3.26 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted single-bond geometry to six Eu, two Zn, and one Ge atom. There are one shorter (2.62 Å) and one longer (2.67 Å) Zn–Zn bond lengths. The Zn–Ge bond length is 2.60 Å. In the second Zn site, Zn is bonded in a 1-coordinate geometry to six Eu, two equivalent Zn, and one Ge atom. The Zn–Ge bond length is 2.65 Å. Ge is bonded in a 3-coordinate geometry to six Eu and three Zn atoms.

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Materials Data on Eu2Si3Ag by Materials Project

Eu2AgSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to two equivalent Ag and ten Si atoms to form a mixture of edge and face-sharing EuSi10Ag2 cuboctahedra. Both Eu–Ag bond lengths are 3.30 Å. There are a spread of Eu–Si bond distances ranging from 3.18–3.36 Å. In the second Eu site, Eu is bonded to four equivalent Ag and eight Si atoms to form a mixture of edge and face-sharing EuSi8Ag4 cuboctahedra. There are two shorter (3.28 Å) and two longer (3.29 Å) Eu–Ag bond lengths. There are a spread of Eu–Si bond distances ranging from 3.28–3.33 Å. Ag is bonded in a 9-coordinate geometry to six Eu and three Si atoms. There are one shorter (2.49 Å) and two longer (2.50 Å) Ag–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Eu, one Ag, and two equivalent Si atoms. Both Si–Si bond lengths are 2.35 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six Eu, one Ag, and two Si atoms. The Si–Si bond length is 2.35 Å.

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Materials Data on Eu3V by Materials Project

Eu3V is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to eight Eu and four equivalent V atoms to form distorted EuEu8V4 cuboctahedra that share corners with twelve equivalent EuEu8V4 cuboctahedra, edges with eight equivalent VEu12 cuboctahedra, edges with sixteen EuEu8V4 cuboctahedra, faces with four equivalent VEu12 cuboctahedra, and faces with fourteen EuEu8V4 cuboctahedra. There are four shorter (3.57 Å) and four longer (3.71 Å) Eu–Eu bond lengths. All Eu–V bond lengths are 3.57 Å. In the second Eu site, Eu is bonded to eight equivalent Eu and four equivalent V atoms to form EuEu8V4 cuboctahedra that share corners with four equivalent EuEu8V4 cuboctahedra, corners with eight equivalent VEu12 cuboctahedra, edges with twenty-four EuEu8V4 cuboctahedra, faces with six equivalent VEu12 cuboctahedra, and faces with twelve EuEu8V4 cuboctahedra. All Eu–V bond lengths are 3.71 Å. V is bonded to twelve Eu atoms to form VEu12 cuboctahedra that share corners with four equivalent VEu12 cuboctahedra, corners with eight equivalent EuEu8V4 cuboctahedra, edges with eight equivalent VEu12 cuboctahedra, edges with sixteen equivalent EuEu8V4 cuboctahedra, faces with four equivalent VEu12 cuboctahedra, and faces with fourteen EuEu8V4 cuboctahedra.

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Materials Data on Eu3V by Materials Project

Eu3V is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Eu and four equivalent V atoms to form a mixture of distorted edge, corner, and face-sharing EuEu4V4 tetrahedra. All Eu–Eu bond lengths are 3.52 Å. All Eu–V bond lengths are 3.52 Å. In the second Eu site, Eu is bonded in a 8-coordinate geometry to eight equivalent Eu and six equivalent V atoms. All Eu–V bond lengths are 4.06 Å. V is bonded in a distorted body-centered cubic geometry to fourteen Eu atoms.

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Materials Data on Eu2ZnGe3 by Materials Project

Eu2ZnGe3 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to two equivalent Zn and ten Ge atoms to form a mixture of edge and face-sharing EuZn2Ge10 cuboctahedra. Both Eu–Zn bond lengths are 3.34 Å. There are six shorter (3.30 Å) and four longer (3.32 Å) Eu–Ge bond lengths. In the second Eu site, Eu is bonded to four equivalent Zn and eight Ge atoms to form a mixture of edge and face-sharing EuZn4Ge8 cuboctahedra. All Eu–Zn bond lengths are 3.31 Å. There are four shorter (3.29 Å) and four longer (3.30 Å) Eu–Ge bond lengths. Zn is bonded in a distorted trigonal planar geometry to six Eu and three Ge atoms. There are two shorter (2.42 Å) and one longer (2.44 Å) Zn–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted single-bond geometry to six Eu, one Zn, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.50 Å. In the second Ge site, Ge is bonded in a distorted single-bond geometry to six Eu, one Zn, and two Ge atoms. The Ge–Ge bond length is 2.50 Å.

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Materials Data on EuAlGe by Materials Project

EuAlGe crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Eu is bonded to six equivalent Al and six Ge atoms to form a mixture of edge and face-sharing EuAl6Ge6 cuboctahedra. There are two shorter (3.31 Å) and four longer (3.32 Å) Eu–Al bond lengths. There are two shorter (3.31 Å) and four longer (3.32 Å) Eu–Ge bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Eu and three Ge atoms. There are one shorter (2.48 Å) and two longer (2.51 Å) Al–Ge bond lengths. In the second Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Eu and three Ge atoms. There are two shorter (3.31 Å) and four longer (3.32 Å) Al–Eu bond lengths. There are one shorter (2.48 Å) and two longer (2.51 Å) Al–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent Eu and three Al atoms. There are two shorter (3.31 Å) and four longer (3.32 Å) Ge–Eu bond lengths. The Ge–Al bond length is 2.48 Å. In the second Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent Eu and three Al atoms. In the third Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent Eu and three equivalent Al atoms. In the fourth Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent Eu and three equivalent Al atoms. There are two shorter (3.31 Å) and four longer (3.32 Å) Ge–Eu bond lengths. There are one shorter (2.48 Å) and two longer (2.51 Å) Ge–Al bond lengths.

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Materials Data on Eu2MgGa3 by Materials Project

MgEu2Ga3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to six Eu and four Ga atoms. There are a spread of Mg–Eu bond distances ranging from 3.23–3.50 Å. There are a spread of Mg–Ga bond distances ranging from 2.76–2.89 Å. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to three equivalent Mg and nine Ga atoms. There are a spread of Eu–Ga bond distances ranging from 3.19–3.44 Å. In the second Eu site, Eu is bonded in a 12-coordinate geometry to three equivalent Mg and nine Ga atoms. There are a spread of Eu–Ga bond distances ranging from 3.20–3.52 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to one Mg, six Eu, and three Ga atoms. There are two shorter (2.72 Å) and one longer (2.88 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mg, six Eu, and two Ga atoms. The Ga–Ga bond length is 2.64 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to one Mg, six Eu, and three Ga atoms.

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Materials Data on Eu3Ta by Materials Project

Eu3Ta is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted body-centered cubic geometry to four equivalent Eu and four equivalent Ta atoms. All Eu–Eu bond lengths are 3.51 Å. All Eu–Ta bond lengths are 3.51 Å. In the second Eu site, Eu is bonded in a 8-coordinate geometry to eight equivalent Eu and six equivalent Ta atoms. All Eu–Ta bond lengths are 4.05 Å. Ta is bonded in a distorted body-centered cubic geometry to fourteen Eu atoms.

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